![C31H30N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-7- methyl-S,3-Ra,3Ra,9a-tetrahydro-3-hydroxy-7- methyl-S,9,3R, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H30N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-7- methyl-S,3-Ra,3Ra,9a-tetrahydro-3-hydroxy-7- methyl-S,9,3R, ACI) Setšoantšo se hlahang](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo.jpg)
C31H30N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-7- methyl-S,3-Ra,3Ra,9a-tetrahydro-3-hydroxy-7- methyl-S,9,3R, ACI)
| Lintho Tsa Bohlokoa Tsa 'Mele | Boleng | Boemo |
| Boima ba Molek'hule | 542.58 | - |
| Sebaka se belang (Se boletsoeng esale pele) | 692.9±65.0 °C | Tobetsa: 760 Torr |
| Boima (bo boletsoeng esale pele) | 1.33±0.1 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr |
| pKa (E boletsoeng esale pele) | 12.51±0,60 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C |
Lipososelo tsa Canonical O=C1N=C2OC3C(O)C(OC3N2C=C1C)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
Isomeric SMILES C(OC[C@H]1O[C@]2([C@]([C@@H]1O)(OC=3N2C=C(C)C(=O)N3)[H]))[H])(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5CC=C6)
InChi
InChI=1S/C31H30N2O7/c1-19-17-33-29-27(40-30(33)32-28(19)35)26 (34)25(39-29)18-38-31(20-7-5-4-6-8-20,21-9-13-23(36-2)14-10-21
)22-11-15-24(37-3)16-12-22/h4-17,25-27,29,34H,18H2,1-3H3/t25-,26-,27+,29-/m1/s1
Senotlolo sa InChi
BQEQCEZNLIKSSH-CITHKVLSSA-N
1 Lebitso le Leng la Ntho ena
(2R,3R,3aS,9aR) -2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-7-methyl-6H-furo[2′,3′:4,5]oxazolo [3,2-a]pyrimidin-6-one)
Spectra e fumaneha
1H NMR
13C NMR
Mmisa
| Thepa e teng |
| Likokoana-hloko |
| Lik'hemik'hale |
| Botenya |
| Lipinski |
| Sebopeho se Amanang |
| Mocheso |
Likokoana-hloko
| Thepa | Boleng | Boemo | Mohloli |
| Bioconcentration Factor | 2800 | pH 1; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 2; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 3; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 4; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 5; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 6; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 7; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 8; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 9; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 2790 | pH 10; Mocheso: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lik'hemik'hale
| Thepa | Boleng | Boemo | Mohloli |
| Koc | 10200 | pH 1; Mocheso: 25 °C | (1) ACD |
| Koc | 10200 | pH 2; Mocheso: 25 °C | (1) ACD |
| Koc | 10200 | pH 3; Mocheso: 25 °C | (1) ACD |
| Koc | 10200 | pH 4; Mocheso: 25 °C | (1) ACD |
| Koc | 10200 | pH 5; Mocheso: 25 °C | (1) ACD |
| Thepa | Boleng | Boemo | Mohloli |
| Koc | 10200 | pH 6; Mocheso: 25 °C | (1) ACD |
| Koc | 10200 | pH 7; Mocheso: 25 °C | (1) ACD |
| Koc | 10200 | pH 8; Mocheso: 25 °C | (1) ACD |
| Koc | 10200 | pH 9; Mocheso: 25 °C | (1) ACD |
| Koc | 10200 | pH 10; Mocheso: 25 °C | (1) ACD |
| logD | 4.84 | pH 1; Mocheso: 25 °C | (1) ACD |
| logD | 4.84 | pH 2; Mocheso: 25 °C | (1) ACD |
| logD | 4.84 | pH 3; Mocheso: 25 °C | (1) ACD |
| logD | 4.84 | pH 4; Mocheso: 25 °C | (1) ACD |
| logD | 4.84 | pH 5; Mocheso: 25 °C | (1) ACD |
| logD | 4.84 | pH 6; Mocheso: 25 °C | (1) ACD |
| logD | 4.84 | pH 7; Mocheso: 25 °C | (1) ACD |
| logD | 4.84 | pH 8; Mocheso: 25 °C | (1) ACD |
| logD | 4.84 | pH 9; Mocheso: 25 °C | (1) ACD |
| logD | 4.84 | pH 10; Mocheso: 25 °C | (1) ACD |
| logP | 4.839±0.618 | Mocheso: 25 °C | (1) ACD |
| Mass Intrinsic Sollubility | 3.6 x 10-4 g/L | Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 3.6 x 10-4 g/L | pH 1; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 3.6 x 10-4 g/L | pH 2; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 3.6 x 10-4 g/L | pH 3; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 3.6 x 10-4 g/L | pH 4; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 3.6 x 10-4 g/L | pH 5; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 3.6 x 10-4 g/L | pH 6; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 3.6 x 10-4 g/L | pH 7; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 3.6 x 10-4 g/L | pH 8; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 3.6 x 10-4 g/L | pH 9; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 3.6 x 10-4 g/L | pH 10; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 3.6 x 10-4 g/L | Metsi a sa tsitsang pH 7.00; Mocheso: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 6.6 x 10-7 mol/L | Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 1; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 2; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 3; Mocheso: 25 °C | (1) ACD |
| Thepa | Boleng | Boemo | Mohloli |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 4; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 5; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 6; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 7; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 8; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 9; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 6.7 x 10-7 mol/L | pH 10; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol/L | Metsi a sa tsitsang pH 7.00; Mocheso: 25 °C | (1) ACD |
| Boima ba Molek'hule | 542.58 | ||
| pKa | 12.51±0,60 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C | (1) ACD |
| pKa | -4,38±0,60 | Mocheso ka ho Fetisisa oa Motheo: 25 °C | (1) ACD |
| Khatello ea Mouoane | 3.73 x 10-20 Torr | Mocheso: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Botenya
| Thepa | Boleng | Boemo | Mohloli |
| Botenya | 1.33±0.1 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr | (1) ACD |
| Molumo oa Molar | 404.9±7.0 cm3/mol | Mocheso: 20 °C; Tobetsa: 760 Torr | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Thepa | Boleng | Boemo | Mohloli |
| Li-Bonds tse ka fetolehang ka bolokolohi | 9 | (1) ACD | |
| H Ba amohelang | 9 | (1) ACD | |
| H Bafani | 1 | (1) ACD | |
| H Kakaretso ea Mofani/Moamoheli | 10 | (1) ACD | |
| logP | 4.839±0.618 | Mocheso: 25 °C | (1) ACD |
| Boima ba Molek'hule | 542.58 |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Sebopeho se Amanang
| Thepa | Boleng | Boemo | Mohloli |
| Sebaka sa Polar Surface | 99.1 A2 | (1) ACD | |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Mocheso
| Thepa | Boleng | Boemo | Mohloli |
| Ntlha e belang | 692.9±65.0 °C | Tobetsa: 760 Torr | (1) ACD |
| Enthalpy ea vaporization | 106.61±3.0 kJ/mol | Tobetsa: 760 Torr | (1) ACD |
| Flash point | 372.8±34.3 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra e fumaneha
1H NMR
13C NMR
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